Br12Gd8N4
Br12Gd8N4 is a thermodynamically stable semiconducting compound containing gadolinium, bromine, and nitrogen.
About Br12Gd8N4
Br12Gd8N4 is a complex inorganic compound composed of gadolinium, bromine, and nitrogen. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement that maintains its integrity under standard conditions.
This material exhibits semiconducting electronic properties, making it an interesting subject for research into specialized electronic and optical applications. Its existence across multiple structural databases highlights its significance as a well-defined phase within its chemical system.
Key Properties
Cross-validated computational properties for Br12Gd8N4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Br12Gd8N4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.87 | 0.0000 | -9.095 | 5.80 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 5.44 |
Frequently Asked Questions
Common questions about Br12Gd8N4, answered from cross-validated data.
What is Br12Gd8N4?
Br12Gd8N4 is a thermodynamically stable semiconducting compound containing gadolinium, bromine, and nitrogen.
What is the band gap of Br12Gd8N4?
Is Br12Gd8N4 a metal, semiconductor, or insulator?
Is Br12Gd8N4 thermodynamically stable?
What is the crystal structure of Br12Gd8N4?
What is the density of Br12Gd8N4?
How many polymorphs of Br12Gd8N4 are known?
What elements does Br12Gd8N4 contain?
Where does the data for Br12Gd8N4 come from?
How It Compares
As a unique phase within its specific chemical system, Br12Gd8N4 serves as a foundational example of how rare-earth elements can integrate with halides and pnictogens to form stable, semiconducting architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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